SCHEMBL353629

SCHEMBL353629

NCC(CCl)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
TAAR1 Q96RJ0 4/20 0.45
SLC6A2 P23975 2/20 0.45
CYP2A6 P11509 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.42
ANPEP P15144 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
HTR2A P28223 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL516032 0.86 EPHX1 (0.56) EPHX1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL6563096 0.86 EPHX1 (0.56) EPHX1TAAR1SLC6A2CYP2A6MAOA
Ammonia Solution, Strong SCHEMBL29283276 0.84 EPHX1 (0.48) EPHX1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL3883482 0.78 EPHX1 (0.43) EPHX1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL2604897 0.78 TAAR1 (0.50) EPHX1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL353179 0.78 TRPA1 (0.50) EPHX1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL11517810 0.78 EPHX1 (0.48) EPHX1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL11821207 0.78 TRPA1 (0.47) EPHX1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL22499343 0.78 EPHX1 (0.43) EPHX1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL4588322 0.78 TAAR1 (0.50) EPHX1TAAR1SLC6A2CYP2A6MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
CN-101128421-A Methods and compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-20 CN disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 EPHX1 812/4885TAAR1 2815/4885SLC6A2 661/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 EPHX1 574/4885TAAR1 2895/4885SLC6A2 790/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 EPHX1 592/4885TAAR1 2459/4885SLC6A2 876/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.